| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:40:52 UTC |
|---|
| Update Date | 2025-03-25 00:46:51 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02157721 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H20O4 |
|---|
| Molecular Mass | 228.1362 |
|---|
| SMILES | C=CC1(C)CCC(C(C)(C)O)C(C(=O)O)O1 |
|---|
| InChI Key | OJCCEGRLEVSZIN-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbohydrates and carbohydrate conjugates |
|---|
| Direct Parent | c-glucuronides |
|---|
| Geometric Descriptor | aliphatic heteromonocyclic compounds |
|---|
| Alternative Parents | carbonyl compoundscarboxylic acidsdialkyl ethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidstertiary alcohols |
|---|
| Substituents | c-glucuronidealcoholcarbonyl groupethercarboxylic acidpyran carboxylic acid or derivativescarboxylic acid derivativepyran carboxylic aciddialkyl etheroxacycletertiary alcoholorganic oxidemonocarboxylic acid or derivativespyranaliphatic heteromonocyclic compoundhydrocarbon derivativeoxaneorganoheterocyclic compound |
|---|
